n-Isorhodomycinone (CHEBI:197577)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	n-Isorhodomycinone

ChEBI ID	CHEBI:197577

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H16O8

Net Charge

Average Mass

408.362

Monoisotopic Mass

408.08452

InChI

InChI=1S/C22H16O8/c1-3-8-4-5-9-13(12(8)22(29)30-2)19(26)17-16(18(9)25)20(27)14-10(23)6-7-11(24)15(14)21(17)28/h4-7,23-24,27-28H,3H2,1-2H3

InChIKey

OMDREUAXDJZOKC-UHFFFAOYSA-N

SMILES

O=C1C2=C(O)C=3C(=C(O)C=CC3O)C(=C2C(=O)C=4C1=C(C(=CC4)CC)C(=O)OC)O

Metabolite of Species	Details
Streptomyces galilaeus (NCBI:txid33899)	See: PubMed

ChEBI Ontology
Outgoing	n-Isorhodomycinone (CHEBI:197577) is a quinone (CHEBI:36141) n-Isorhodomycinone (CHEBI:197577) is a tetracenes (CHEBI:51270)

IUPAC Name

methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate